(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

C30H27Cl3N4O7 — CID 67105909

IUPAC(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESNCc1ccc(Cl)cc1.O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)cc2)c(O)n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C23H19Cl2N3O7.C7H8ClN/c24-14-7-5-12(6-8-14)9-26-20(32)17-19(31)18(21(33)27-10-16(29)30)23(35)28(22(17)34)11-13-3-1-2-4-15(13)25;8-7-3-1-6(5-9)2-4-7/h1-8,31,34H,9-11H2,(H,26,32)(H,27,33)(H,29,30);1-4H,5,9H2
InChIKeyWSUQLRUSLGADCP-UHFFFAOYSA-N
MW661.93 g/mol
LogP4.16
Rot. Bonds9

About (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid

(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (PubChem CID 67105909) has the molecular formula C30H27Cl3N4O7 and a molecular weight of 661.93 g/mol. Its IUPAC name is (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
PubChem CID67105909
Molecular FormulaC30H27Cl3N4O7
Molecular Weight661.93 g/mol
Exact Mass660.09
IUPAC Name(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid
SMILESNCc1ccc(Cl)cc1.O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)cc2)c(O)n(Cc2ccccc2Cl)c1=O
InChIInChI=1S/C23H19Cl2N3O7.C7H8ClN/c24-14-7-5-12(6-8-14)9-26-20(32)17-19(31)18(21(33)27-10-16(29)30)23(35)28(22(17)34)11-13-3-1-2-4-15(13)25;8-7-3-1-6(5-9)2-4-7/h1-8,31,34H,9-11H2,(H,26,32)(H,27,33)(H,29,30);1-4H,5,9H2
InChIKeyWSUQLRUSLGADCP-UHFFFAOYSA-N
XLogP4.16
TPSA183.98 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.93
LogP ≤ 54.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[1-[(2-chlorophenyl)methyl]-5-[(2-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetate
CID 58237987
2-[[1-[(2-chlorophenyl)methyl]-2,4-dihydroxy-6-oxo-5-(pyridin-4-ylcarbamoyl)pyridine-3-carbonyl]amino]acetic acid
CID 58238073
2-[[5-(cyclopropylmethylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238170
2-[[5-(cyclopentylcarbamoyl)-1-[(2,4-dichlorophenyl)methyl]-2,4-dihydroxy-6-oxopyridine-3-carbonyl]amino]acetic acid
CID 58238055
2-[[6-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-5-hydroxy-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 54739149
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635
2-[[1-[(2-chlorophenyl)methyl]-2-(2-chloro-6-phenylphenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928889
2-[[1-[(2-chlorophenyl)methyl]-2-(2,6-dibromophenyl)-4-hydroxy-6-oxopyrimidine-5-carbonyl]amino]acetic acid
CID 135928891
1-benzyl-N-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727033
2-[[2-[(2-chlorophenyl)methyl]-5-hydroxy-6-(4-hydroxyphenyl)-3-oxopyridazine-4-carbonyl]amino]acetic acid
CID 135914602
2-[[6-(4-chlorophenyl)-5-hydroxy-3-oxo-2-[(4-phenylphenyl)methyl]pyridazine-4-carbonyl]amino]acetic acid
CID 54739155
2-[[1-[(4-tert-butylphenyl)methyl]-7-chloro-4-hydroxy-2-oxoquinoline-3-carbonyl]amino]acetic acid
CID 54685209

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The IUPAC name of (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid (CID 67105909) is (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid.
What is the SMILES notation for (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The canonical SMILES for (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is NCc1ccc(Cl)cc1.O=C(O)CNC(=O)c1c(O)c(C(=O)NCc2ccc(Cl)cc2)c(O)n(Cc2ccccc2Cl)c1=O.
What is the InChIKey of (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
The InChIKey is WSUQLRUSLGADCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2N3O7.C7H8ClN/c24-14-7-5-12(6-8-14)9-26-20(32)17-19(31)18(21(33)27-10-16(29)30)23(35)28(22(17)34)11-13-3-1-2-4-15(13)25;8-7-3-1-6(5-9)2-4-7/h1-8,31,34H,9-11H2,(H,26,32)(H,27,33)(H,29,30);1-4H,5,9H2.
What are the key properties of (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid?
(4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid has a molecular weight of 661.93 g/mol, XLogP of 4.16, 9 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methanamine;2-[[1-[(2-chlorophenyl)methyl]-5-[(4-chlorophenyl)methylcarbamoyl]-4,6-dihydroxy-2-oxopyridine-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 67105909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).